N-[2-(cyclopenten-1-yl)ethyl]-1-(2-fluorophenyl)propan-1-amine

C16H22FN — CID 106169208

IUPACN-[2-(cyclopenten-1-yl)ethyl]-1-(2-fluorophenyl)propan-1-amine
SMILESCCC(NCCC1=CCCC1)c1ccccc1F
InChIInChI=1S/C16H22FN/c1-2-16(14-9-5-6-10-15(14)17)18-12-11-13-7-3-4-8-13/h5-7,9-10,16,18H,2-4,8,11-12H2,1H3
InChIKeyFRKJKJNKWWHEHB-UHFFFAOYSA-N
MW247.36 g/mol
LogP4.37
Rot. Bonds6

About N-[2-(cyclopenten-1-yl)ethyl]-1-(2-fluorophenyl)propan-1-amine

N-[2-(cyclopenten-1-yl)ethyl]-1-(2-fluorophenyl)propan-1-amine (PubChem CID 106169208) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-1-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-1-(2-fluorophenyl)propan-1-amine
PubChem CID106169208
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-1-(2-fluorophenyl)propan-1-amine
SMILESCCC(NCCC1=CCCC1)c1ccccc1F
InChIInChI=1S/C16H22FN/c1-2-16(14-9-5-6-10-15(14)17)18-12-11-13-7-3-4-8-13/h5-7,9-10,16,18H,2-4,8,11-12H2,1H3
InChIKeyFRKJKJNKWWHEHB-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-(cyclopenten-1-yl)ethyl]-1-(2-fluorophenyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-1-phenylpropan-1-amine
CID 103843122
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43766332
N-[2-(cyclopenten-1-yl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 106169372
N-(2-cyclohexylethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676958
1-(2-fluorophenyl)-N-(3-hydroxysulfanylpropyl)propan-1-amine
CID 143236247
1-(2-fluorophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 103949567
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylpentan-1-amine
CID 43766361
N-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676916
N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 43096041
3-[1-(2-fluorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115970369
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-(2-fluorophenyl)propan-1-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-(2-fluorophenyl)propan-1-amine (CID 106169208) is N-[2-(cyclopenten-1-yl)ethyl]-1-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-1-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-1-(2-fluorophenyl)propan-1-amine is CCC(NCCC1=CCCC1)c1ccccc1F.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-1-(2-fluorophenyl)propan-1-amine?
The InChIKey is FRKJKJNKWWHEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c1-2-16(14-9-5-6-10-15(14)17)18-12-11-13-7-3-4-8-13/h5-7,9-10,16,18H,2-4,8,11-12H2,1H3.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-1-(2-fluorophenyl)propan-1-amine?
N-[2-(cyclopenten-1-yl)ethyl]-1-(2-fluorophenyl)propan-1-amine has a molecular weight of 247.36 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-1-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 106169208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).